SCHEMBL8426645

SCHEMBL8426645

Sc1n[nH]c2ccc(CCCNC3CC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.39
GRIN1 Q05586 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCHR1 Q99705 1/20 0.34
CXCL12 P48061 1/20 0.34
CXCR4 P61073 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8423782 0.78 HRH4 (0.36) SIGMAR1GSK3B
SCHEMBL8423849 0.76 PDE3B (0.41) GSK3B
SCHEMBL8424760 0.76 CYP1A2 (0.41) JAK2
SCHEMBL3532424 0.76 HTR6 (0.39) GRIN2BGRIN1SIGMAR1LMNASMN1; SMN2
SCHEMBL8424834 0.75 HTR1A (0.41)
SCHEMBL8424226 0.75 MAPT (0.42) SIGMAR1LMNASMN1; SMN2
SCHEMBL8424751 0.75 PDE3B (0.41) GSK3B
SCHEMBL8424733 0.73 PARP1 (0.43)
Trifluoroacetic Acid SCHEMBL3535200 0.71 GSK3B (0.36) GRIN2BGRIN1SIGMAR1GSK3BSMN1; SMN2
SCHEMBL8424448 0.70 ITK (0.44)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A GRIN2B 103/4885GRIN1 80/4885SIGMAR1 61/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.